Vitas-M small molecule compound
7-[({5-[(2-bromophenoxy)methyl]furan-2-yl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK384789
SMILES O=C1C(NC(=O)c2ccc(o2)COc2ccccc2Br)C2N1C(=C(CS2)CSc1nnc(s1)C)C(=O)O
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19BrN4O6S3 MW 623.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O6S3/c1-11-26-27-23(37-11)36-10-12-9-35-21-17(20(30)28(21)18(12)22(31)32)25-19(29)16-7-6-13(34-16)8-33-15-5-3-2-4-14(15)24/h2-7,17,21H,8-10H2,1H3,(H,25,29)(H,31,32)InChIKey
WXVSYCYRIXCOJE-UHFFFAOYSA-NSynonyms
1214711-19-91214711199
7(((5((2bromophenoxy)methyl)furan2yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((5((2BROMOPHENOXY)METHYL)FURAN2CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(O4)COC5=CC=CC=C5Br)SC2)C(=O)O
InChI=1SC23H19BrN4O6S3c111262723(3711)3610129352117(20(30)28(21)18(12)22(31)32)2519(29)167613(3416)83315532414(15)24h271721H810H21H3(H2529)(H3132)
MFCD04132785
ZINC000150399687
ZINC000150399697
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